1-(3-fluoropropyl)-3-methylpyrazole

C7H11FN2 — CID 81114293

IUPAC1-(3-fluoropropyl)-3-methylpyrazole
SMILESCc1ccn(CCCF)n1
InChIInChI=1S/C7H11FN2/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,4-5H2,1H3
InChIKeyRDYGFILHGRIUAM-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.55
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylpyrazole

1-(3-fluoropropyl)-3-methylpyrazole (PubChem CID 81114293) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylpyrazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylpyrazole
PubChem CID81114293
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(3-fluoropropyl)-3-methylpyrazole
SMILESCc1ccn(CCCF)n1
InChIInChI=1S/C7H11FN2/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,4-5H2,1H3
InChIKeyRDYGFILHGRIUAM-UHFFFAOYSA-N
XLogP1.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methylpyrazole?
The IUPAC name of 1-(3-fluoropropyl)-3-methylpyrazole (CID 81114293) is 1-(3-fluoropropyl)-3-methylpyrazole.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylpyrazole?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylpyrazole is Cc1ccn(CCCF)n1.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylpyrazole?
The InChIKey is RDYGFILHGRIUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-7-3-6-10(9-7)5-2-4-8/h3,6H,2,4-5H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methylpyrazole?
1-(3-fluoropropyl)-3-methylpyrazole has a molecular weight of 142.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylpyrazole is sourced from PubChem (CID 81114293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).